sodium;6-bromo-2-chloroquinazoline;2-(2-bromoethyl)isoindole-1,3-dione;1-[2-[(6-bromoquinazolin-2-yl)amino]ethyl]pyrrolidin-2-one;N-cyclopropyl-4-methyl-3-[2-[2-(2-oxopyrrolidin-1-yl)ethylamino]quinazolin-6-yl]benzamide;N-cyclopropyl-4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide;hydrazine;hydride;2-[2-(2-oxopyrrolidin-1-yl)ethyl]isoindole-1,3-dione;pyrrolidin-2-one

C92H104BBr3ClN18NaO12 — CID 157112317

IUPACsodium;6-bromo-2-chloroquinazoline;2-(2-bromoethyl)isoindole-1,3-dione;1-[2-[(6-bromoquinazolin-2-yl)amino]ethyl]pyrrolidin-2-one;N-cyclopropyl-4-methyl-3-[2-[2-(2-oxopyrrolidin-1-yl)ethylamino]quinazolin-6-yl]benzamide;N-cyclopropyl-4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide;hydrazine;hydride;2-[2-(2-oxopyrrolidin-1-yl)ethyl]isoindole-1,3-dione;pyrrolidin-2-one
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1ccc2nc(NCCN3CCCC3=O)ncc2c1.Cc1ccc(C(=O)NC2CC2)cc1B1OC(C)(C)C(C)(C)O1.Clc1ncc2cc(Br)ccc2n1.NN.O=C1CCCN1.O=C1CCCN1CCN1C(=O)c2ccccc2C1=O.O=C1CCCN1CCNc1ncc2cc(Br)ccc2n1.O=C1c2ccccc2C(=O)N1CCBr.[H-].[Na+]
InChIInChI=1S/C25H27N5O2.C17H24BNO3.C14H15BrN4O.C14H14N2O3.C10H8BrNO2.C8H4BrClN2.C4H7NO.H4N2.Na.H/c1-16-4-5-18(24(32)28-20-7-8-20)14-21(16)17-6-9-22-19(13-17)15-27-25(29-22)26-10-12-30-11-2-3-23(30)31;1-11-6-7-12(15(20)19-13-8-9-13)10-14(11)18-21-16(2,3)17(4,5)22-18;15-11-3-4-12-10(8-11)9-17-14(18-12)16-5-7-19-6-1-2-13(19)20;17-12-6-3-7-15(12)8-9-16-13(18)10-4-1-2-5-11(10)14(16)19;11-5-6-12-9(13)7-3-1-2-4-8(7)10(12)14;9-6-1-2-7-5(3-6)4-11-8(10)12-7;6-4-2-1-3-5-4;1-2;;/h4-6,9,13-15,20H,2-3,7-8,10-12H2,1H3,(H,28,32)(H,26,27,29);6-7,10,13H,8-9H2,1-5H3,(H,19,20);3-4,8-9H,1-2,5-7H2,(H,16,17,18);1-2,4-5H,3,6-9H2;1-4H,5-6H2;1-4H;1-3H2,(H,5,6);1-2H2;;/q;;;;;;;;+1;-1
InChIKeyNAQOWJSBARPHKH-UHFFFAOYSA-N
MW1962.92 g/mol
LogP9.60
Rot. Bonds19

About sodium;6-bromo-2-chloroquinazoline;2-(2-bromoethyl)isoindole-1,3-dione;1-[2-[(6-bromoquinazolin-2-yl)amino]ethyl]pyrrolidin-2-one;N-cyclopropyl-4-methyl-3-[2-[2-(2-oxopyrrolidin-1-yl)ethylamino]quinazolin-6-yl]benzamide;N-cyclopropyl-4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide;hydrazine;hydride;2-[2-(2-oxopyrrolidin-1-yl)ethyl]isoindole-1,3-dione;pyrrolidin-2-one

sodium;6-bromo-2-chloroquinazoline;2-(2-bromoethyl)isoindole-1,3-dione;1-[2-[(6-bromoquinazolin-2-yl)amino]ethyl]pyrrolidin-2-one;N-cyclopropyl-4-methyl-3-[2-[2-(2-oxopyrrolidin-1-yl)ethylamino]quinazolin-6-yl]benzamide;N-cyclopropyl-4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide;hydrazine;hydride;2-[2-(2-oxopyrrolidin-1-yl)ethyl]isoindole-1,3-dione;pyrrolidin-2-one (PubChem CID 157112317) has the molecular formula C92H104BBr3ClN18NaO12 and a molecular weight of 1962.92 g/mol. Its IUPAC name is sodium;6-bromo-2-chloroquinazoline;2-(2-bromoethyl)isoindole-1,3-dione;1-[2-[(6-bromoquinazolin-2-yl)amino]ethyl]pyrrolidin-2-one;N-cyclopropyl-4-methyl-3-[2-[2-(2-oxopyrrolidin-1-yl)ethylamino]quinazolin-6-yl]benzamide;N-cyclopropyl-4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide;hydrazine;hydride;2-[2-(2-oxopyrrolidin-1-yl)ethyl]isoindole-1,3-dione;pyrrolidin-2-one.

Molecular Properties

Compound Namesodium;6-bromo-2-chloroquinazoline;2-(2-bromoethyl)isoindole-1,3-dione;1-[2-[(6-bromoquinazolin-2-yl)amino]ethyl]pyrrolidin-2-one;N-cyclopropyl-4-methyl-3-[2-[2-(2-oxopyrrolidin-1-yl)ethylamino]quinazolin-6-yl]benzamide;N-cyclopropyl-4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide;hydrazine;hydride;2-[2-(2-oxopyrrolidin-1-yl)ethyl]isoindole-1,3-dione;pyrrolidin-2-one
PubChem CID157112317
Molecular FormulaC92H104BBr3ClN18NaO12
Molecular Weight1962.92 g/mol
Exact Mass1958.53
IUPAC Namesodium;6-bromo-2-chloroquinazoline;2-(2-bromoethyl)isoindole-1,3-dione;1-[2-[(6-bromoquinazolin-2-yl)amino]ethyl]pyrrolidin-2-one;N-cyclopropyl-4-methyl-3-[2-[2-(2-oxopyrrolidin-1-yl)ethylamino]quinazolin-6-yl]benzamide;N-cyclopropyl-4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide;hydrazine;hydride;2-[2-(2-oxopyrrolidin-1-yl)ethyl]isoindole-1,3-dione;pyrrolidin-2-one
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1ccc2nc(NCCN3CCCC3=O)ncc2c1.Cc1ccc(C(=O)NC2CC2)cc1B1OC(C)(C)C(C)(C)O1.Clc1ncc2cc(Br)ccc2n1.NN.O=C1CCCN1.O=C1CCCN1CCN1C(=O)c2ccccc2C1=O.O=C1CCCN1CCNc1ncc2cc(Br)ccc2n1.O=C1c2ccccc2C(=O)N1CCBr.[H-].[Na+]
InChIInChI=1S/C25H27N5O2.C17H24BNO3.C14H15BrN4O.C14H14N2O3.C10H8BrNO2.C8H4BrClN2.C4H7NO.H4N2.Na.H/c1-16-4-5-18(24(32)28-20-7-8-20)14-21(16)17-6-9-22-19(13-17)15-27-25(29-22)26-10-12-30-11-2-3-23(30)31;1-11-6-7-12(15(20)19-13-8-9-13)10-14(11)18-21-16(2,3)17(4,5)22-18;15-11-3-4-12-10(8-11)9-17-14(18-12)16-5-7-19-6-1-2-13(19)20;17-12-6-3-7-15(12)8-9-16-13(18)10-4-1-2-5-11(10)14(16)19;11-5-6-12-9(13)7-3-1-2-4-8(7)10(12)14;9-6-1-2-7-5(3-6)4-11-8(10)12-7;6-4-2-1-3-5-4;1-2;;/h4-6,9,13-15,20H,2-3,7-8,10-12H2,1H3,(H,28,32)(H,26,27,29);6-7,10,13H,8-9H2,1-5H3,(H,19,20);3-4,8-9H,1-2,5-7H2,(H,16,17,18);1-2,4-5H,3,6-9H2;1-4H,5-6H2;1-4H;1-3H2,(H,5,6);1-2H2;;/q;;;;;;;;+1;-1
InChIKeyNAQOWJSBARPHKH-UHFFFAOYSA-N
XLogP9.60
TPSA394.89 Ų
H-Bond Donors7
H-Bond Acceptors22
Rotatable Bonds19
Heavy Atoms128
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001962.92
LogP ≤ 59.60
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze sodium;6-bromo-2-chloroquinazoline;2-(2-bromoethyl)isoindole-1,3-dione;1-[2-[(6-bromoquinazolin-2-yl)amino]ethyl]pyrrolidin-2-one;N-cyclopropyl-4-methyl-3-[2-[2-(2-oxopyrrolidin-1-yl)ethylamino]quinazolin-6-yl]benzamide;N-cyclopropyl-4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide;hydrazine;hydride;2-[2-(2-oxopyrrolidin-1-yl)ethyl]isoindole-1,3-dione;pyrrolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of sodium;6-bromo-2-chloroquinazoline;2-(2-bromoethyl)isoindole-1,3-dione;1-[2-[(6-bromoquinazolin-2-yl)amino]ethyl]pyrrolidin-2-one;N-cyclopropyl-4-methyl-3-[2-[2-(2-oxopyrrolidin-1-yl)ethylamino]quinazolin-6-yl]benzamide;N-cyclopropyl-4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide;hydrazine;hydride;2-[2-(2-oxopyrrolidin-1-yl)ethyl]isoindole-1,3-dione;pyrrolidin-2-one?
The IUPAC name of sodium;6-bromo-2-chloroquinazoline;2-(2-bromoethyl)isoindole-1,3-dione;1-[2-[(6-bromoquinazolin-2-yl)amino]ethyl]pyrrolidin-2-one;N-cyclopropyl-4-methyl-3-[2-[2-(2-oxopyrrolidin-1-yl)ethylamino]quinazolin-6-yl]benzamide;N-cyclopropyl-4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide;hydrazine;hydride;2-[2-(2-oxopyrrolidin-1-yl)ethyl]isoindole-1,3-dione;pyrrolidin-2-one (CID 157112317) is sodium;6-bromo-2-chloroquinazoline;2-(2-bromoethyl)isoindole-1,3-dione;1-[2-[(6-bromoquinazolin-2-yl)amino]ethyl]pyrrolidin-2-one;N-cyclopropyl-4-methyl-3-[2-[2-(2-oxopyrrolidin-1-yl)ethylamino]quinazolin-6-yl]benzamide;N-cyclopropyl-4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide;hydrazine;hydride;2-[2-(2-oxopyrrolidin-1-yl)ethyl]isoindole-1,3-dione;pyrrolidin-2-one.
What is the SMILES notation for sodium;6-bromo-2-chloroquinazoline;2-(2-bromoethyl)isoindole-1,3-dione;1-[2-[(6-bromoquinazolin-2-yl)amino]ethyl]pyrrolidin-2-one;N-cyclopropyl-4-methyl-3-[2-[2-(2-oxopyrrolidin-1-yl)ethylamino]quinazolin-6-yl]benzamide;N-cyclopropyl-4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide;hydrazine;hydride;2-[2-(2-oxopyrrolidin-1-yl)ethyl]isoindole-1,3-dione;pyrrolidin-2-one?
The canonical SMILES for sodium;6-bromo-2-chloroquinazoline;2-(2-bromoethyl)isoindole-1,3-dione;1-[2-[(6-bromoquinazolin-2-yl)amino]ethyl]pyrrolidin-2-one;N-cyclopropyl-4-methyl-3-[2-[2-(2-oxopyrrolidin-1-yl)ethylamino]quinazolin-6-yl]benzamide;N-cyclopropyl-4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide;hydrazine;hydride;2-[2-(2-oxopyrrolidin-1-yl)ethyl]isoindole-1,3-dione;pyrrolidin-2-one is Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2nc(NCCN3CCCC3=O)ncc2c1.Cc1ccc(C(=O)NC2CC2)cc1B1OC(C)(C)C(C)(C)O1.Clc1ncc2cc(Br)ccc2n1.NN.O=C1CCCN1.O=C1CCCN1CCN1C(=O)c2ccccc2C1=O.O=C1CCCN1CCNc1ncc2cc(Br)ccc2n1.O=C1c2ccccc2C(=O)N1CCBr.[H-].[Na+].
What is the InChIKey of sodium;6-bromo-2-chloroquinazoline;2-(2-bromoethyl)isoindole-1,3-dione;1-[2-[(6-bromoquinazolin-2-yl)amino]ethyl]pyrrolidin-2-one;N-cyclopropyl-4-methyl-3-[2-[2-(2-oxopyrrolidin-1-yl)ethylamino]quinazolin-6-yl]benzamide;N-cyclopropyl-4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide;hydrazine;hydride;2-[2-(2-oxopyrrolidin-1-yl)ethyl]isoindole-1,3-dione;pyrrolidin-2-one?
The InChIKey is NAQOWJSBARPHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O2.C17H24BNO3.C14H15BrN4O.C14H14N2O3.C10H8BrNO2.C8H4BrClN2.C4H7NO.H4N2.Na.H/c1-16-4-5-18(24(32)28-20-7-8-20)14-21(16)17-6-9-22-19(13-17)15-27-25(29-22)26-10-12-30-11-2-3-23(30)31;1-11-6-7-12(15(20)19-13-8-9-13)10-14(11)18-21-16(2,3)17(4,5)22-18;15-11-3-4-12-10(8-11)9-17-14(18-12)16-5-7-19-6-1-2-13(19)20;17-12-6-3-7-15(12)8-9-16-13(18)10-4-1-2-5-11(10)14(16)19;11-5-6-12-9(13)7-3-1-2-4-8(7)10(12)14;9-6-1-2-7-5(3-6)4-11-8(10)12-7;6-4-2-1-3-5-4;1-2;;/h4-6,9,13-15,20H,2-3,7-8,10-12H2,1H3,(H,28,32)(H,26,27,29);6-7,10,13H,8-9H2,1-5H3,(H,19,20);3-4,8-9H,1-2,5-7H2,(H,16,17,18);1-2,4-5H,3,6-9H2;1-4H,5-6H2;1-4H;1-3H2,(H,5,6);1-2H2;;/q;;;;;;;;+1;-1.
What are the key properties of sodium;6-bromo-2-chloroquinazoline;2-(2-bromoethyl)isoindole-1,3-dione;1-[2-[(6-bromoquinazolin-2-yl)amino]ethyl]pyrrolidin-2-one;N-cyclopropyl-4-methyl-3-[2-[2-(2-oxopyrrolidin-1-yl)ethylamino]quinazolin-6-yl]benzamide;N-cyclopropyl-4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide;hydrazine;hydride;2-[2-(2-oxopyrrolidin-1-yl)ethyl]isoindole-1,3-dione;pyrrolidin-2-one?
sodium;6-bromo-2-chloroquinazoline;2-(2-bromoethyl)isoindole-1,3-dione;1-[2-[(6-bromoquinazolin-2-yl)amino]ethyl]pyrrolidin-2-one;N-cyclopropyl-4-methyl-3-[2-[2-(2-oxopyrrolidin-1-yl)ethylamino]quinazolin-6-yl]benzamide;N-cyclopropyl-4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide;hydrazine;hydride;2-[2-(2-oxopyrrolidin-1-yl)ethyl]isoindole-1,3-dione;pyrrolidin-2-one has a molecular weight of 1962.92 g/mol, XLogP of 9.60, 19 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;6-bromo-2-chloroquinazoline;2-(2-bromoethyl)isoindole-1,3-dione;1-[2-[(6-bromoquinazolin-2-yl)amino]ethyl]pyrrolidin-2-one;N-cyclopropyl-4-methyl-3-[2-[2-(2-oxopyrrolidin-1-yl)ethylamino]quinazolin-6-yl]benzamide;N-cyclopropyl-4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide;hydrazine;hydride;2-[2-(2-oxopyrrolidin-1-yl)ethyl]isoindole-1,3-dione;pyrrolidin-2-one is sourced from PubChem (CID 157112317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).